Journal of Magnesium and Alloys
·
2021
·
IF 10.088
Bogu Liu,Bao Zhang,Haixiang Huang,Xiaohong Chen,Yujie Lv,Zhongyu Li,Jianguang Yuan,Ying Wu
Ni and carbon materials exhibit remarkable catalysis for the hydriding reaction of Mg. But the underlying mechanism of Ni/C hybrid catalysis is still unclear. In this work, density functional theory (DFT) calculation is applied to investigate the effect of Ni/C co-incorporation on the hydriding reaction of Mg crystal. The morphology and crystal structure of the Ni/C co-incorporated Mg sample show that the co-incorporated structure is credible. The transition state searching calculation suggests that both the incorporations of Ni and C are beneficial for the H 2 dissociation. But Ni atom has a dramatic improvement for H 2 dissociation and makes the H diffusion become limiting step of the hyriding reaction. The Ni d z 2 orbit and H s orbit accept the electrons and combine together compactly, while the Ni d xy orbit is half-occupied. The catalytic effect of Ni on H 2 dissociation can be ascribed to the bridging effect of Ni d xy orbit. The incorporation of C can weaken the over-strong interaction between Ni and H which hindered the H diffusion on Mg(0001). The Ni/C co-incorporated Mg(0001) shows the best performance during hyriding reaction compared with the clean and single incorporated Mg(0001).
研究领域:
材料科学
·
物理化学
✓ 已验证
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Tengyu Zhang,Meijia Liu,Can Li,Jiwei Zhang,Hui Gao,Fangong Kong,Xuezhang Xiao
Magnesium hydride (MgH 2 ) emerges as a cost-effective and high-capacity hydrogen storage candidate. Despite these advantages, its utilization is constrained by sluggish reaction kinetics and the requirement for elevated operating temperatures. In this study, we aim to address these limitations by investigating the synergistic catalytic effect of yttrium fluoride (YF 3 ) and nickel-loaded nitrogen self-doped porous carbon (Ni/C) as catalysts for MgH 2 . Co-doping with YF 3 and Ni/C reduces the dehydrogenation activation energy to 74.56 kJ/mol, enabling 5.22 wt% H 2 desorption within 5 min at 300 °C. Notably, the system exhibits enhanced low-temperature reaction kinetics, with the MgH 2 -YF 3 + Ni/C composite releasing 5.74 wt% H 2 at 250 °C within 30 min. At 50 °C, the co-doped composite achieves a hydrogen storage capacity of 5.18 wt% within 4 h, whereas the composite with Ni/C only absorbs 3.72 wt% H 2 . Moreover, the MgH 2 -YF 3 + Ni/C shows 98.4 % capacity retention after 30 cycles, indicating excellent reversibility. Mechanistic analysis reveals that the outstanding catalytic performance originates from the synergistic effect among YH 2 /YH 3 , MgF 2 , Mg 2 Ni/Mg 2 NiH 4 , and nitrogen-doped carbon. YH 2 /YH 3 and Mg 2 Ni/Mg 2 NiH 4 act as “hydrogen pump”, providing more active sites for the reaction. Additionally, MgF 2 functions as an electron transfer medium, weakening the Mg-H bond. The introduction of nitrogen self-doped porous carbon improves the dispersion of the catalyst and prevents aggregation, enhancing the dissociation of hydrogen molecules. This work demonstrates a promising strategy for improving the low-temperature hydrogen storage performance of MgH 2 and offers insights into the design of rare-earth fluoride-based catalysts.
研究领域:
材料科学
·
能源化学
·
催化化学
✓ 已验证
产品关联
DOI
高影响因子
CHEMPHYSCHEM
·
2024
·
IF 2.3
Tao Yin,Yang Luo,Arvind Singh Chauhan,Riyang Shu,Zhipeng Tian,Chao Wang,Ying Chen,Navneet Kumar Gupta
In the catalytic transformation of bio-oil into liquid fuels having alkanes via hydrodeoxygenation (HDO), the acid and metal sites in the catalyst are pivotal for promoting the HDO of lignin-derived phenolic compounds. This study introduces a novel bifunctional catalyst comprising phosphomolybdenum-vanadium heteropolyacids (H4PMo11VO40) coupled with Ni/C. The HDO reaction of the model compound guaiacol was carried out under reaction conditions of 230 °C, revealing the superior performance of H4PMo11VO40 with Ni/C catalysts compared to the conventional acids, even at low dosage. The Keggin structure of H4PMo11VO40 provided a solid catalyst with strong acidic and redox properties, alongside advantages such as ease of synthesis, cost-effectiveness, and tunable acid and redox properties at the molecular level. Characterization of Ni/C and the prepared acid demonstrated favorable pore structure with a mesopore volume of 0.281 cm3/g and an average pore size of 3.404 nm, facilitating uniform distribution and catalytic activity of Ni-metal. Incorporating acid enhances the acidic sites, fostering synergistic interactions between metal and acidic sites within the catalyst, thereby significantly enhancing HDO performance. Guaiacol conversion at 230 °C reached 100%, with a cyclohexane selectivity of 89.3%. This study presents a promising pathway for converting lignin-derived phenolic compounds.
研究领域:
能源化学
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催化化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2017
·
IF 2.843
Hai-Bo Zhao,Zhi-Bing Fu,Xue-Yi Liu,Xiao-Cao Zhou,Hong-Bing Chen,Ming-Long Zhong,Chao-Yang Wang
Novel magnetic and conductive Ni/carbon aerogels have been successfully fabricated through an autocatalytic reduction process. The resultant Ni/carbon aerogels have nanoporous structure with high specific surface area, low densities, appropriate electrical conductivities and controllable magnetization. Due to these special attributes, the aerogel composites are demonstrated to be a great microwave absorbent possessing strong and controllable EM absorption with ultrathin thickness. Only with filler loading of 10 wt % in the wax, a minimum RL of −57 dB is found at 13.3 GHz with the thickness of 2 mm. Even with the thickness of 1.5 mm, the Ni/carbon aerogel-3 composite can exhibit the low RLmin value of −32 dB and wide effective EM absorption bandwidth of 4.0 dB. The synergistic effect of the medium dielectric loss, weak magnetic loss and good impedance match, accounts for the high microwave absorption performance.
研究领域:
材料科学
·
电磁学
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2023
·
IF 4.2
Tao Shen,Jiawen Wu,Qingya Liu,Zhenyu Liu
Conversion of calcium carbonate (CaCO3) to calcium oxide and methane (CH4) by renewable hydrogen is promising to retrofit the current CaCO3 decomposition processes in many industries and, at the same time, to replace their carbon dioxide emission by CH4 generation. This work studies CaCO3 hydrogenation by a liquid organic hydrogen carrier, 9,10-dihydrophenanthrene (DHP), and the catalytic effect of nickel carbonate (NiCO3) at 400 °C. It is found that NiCO3 in situ forms Ni particles of 200–900 nm in size that promote CH4 formation from CaCO3. At the NiCO3:CaCO3:DHP molar ratios of 1:10:55 and 400 °C, the total CO32– conversion, CH4 selectivity, and CH4 formation from CaCO3 are 89.5, 40, and 80.3%, respectively, in 40 min.
研究领域:
化学工程
·
能源科学
✓ 已验证
产品关联
DOI
高影响因子
RSC Advances
·
2017
·Vol. 7
·期 71
·44896-44903
·
IF 3.108
Guochen Zhao,Jinshang Li,Yuanfeng Huang,Liming Yang,Ying Ye,Frank C. Walsh,Jie Chen,Shuncai Wang
Superhydrophobic, water repellent surfaces have attracted much attention but poor surface mechanical properties have limited their wider practical application. Robust surfaces based on nickel–tungsten carbide composite coatings have been electrodeposited. The surfaces showed superhydrophobicity after being modified by stearic acid. The maximum contact angle of water was 164.3 degrees with a sliding angle close to zero. By controlling the deposition conditions, versatile coatings have been produced and the effects of morphology on wettability are discussed. Coating texture has been analyzed by X-ray diffraction. The surfaces showed excellent abrasion resistance and water-repellence.
研究领域:
材料科学
·
表面工程
✓ 已验证
产品关联
DOI
高影响因子
Scientific Reports
·
2017
·Vol. 7
·期 1
·1-11
·
IF 4.259
Lu Xinhuan,He Jie,Jing Run,Tao Peipei,Nie Renfeng,Zhou Dan,Xia Qinghua
Biocarbon supported Ni catalysts have been prepared by facile impregnation of Ni species by microwave-heating and used for selective hydrogenation of nitrobenzene to cyclohexylamine. These catalysts were characterized by X-ray diffraction, Raman spectra, N2 sorption measurement, X-ray photoelectron spectroscopy, temperature programmed reduction of H2 and H2 temperature-programmed desorption. The morphology and particle size of catalysts were imaged by scanning electron microscope and transmission electron microscope. For the hydrogenation of nitrobenzene to cyclohexylamine, 10%Ni/CSC-II(b) exhibits the best catalytic activity to achieve 100 mol% conversion of nitrobenzene and 96.7% selectivity of cyclohexylamine under reaction conditions of 2.0 MPa H2 and 200 °C, ascribed to high dispersion of Ni species and formation of nanosized Ni particles on the support aided by microwave-heating. Thus-prepared Ni/CSC catalyst is greatly activated, in which the addition of precious metal like Rh is totally avoided.
研究领域:
催化化学
·
材料科学
✓ 已验证
DOI
PubMed
高影响因子
Inorganic Chemistry Frontiers
·
2022
·Vol. 9
·期 8
·1819-1829
·
IF 7.779
Jinghua Liu,Hualan Li,Jiayang Cai,Jingyan Liu,Yansheng Liu,Zijun Sun,Xiong He,Dezhi Qu,Xin Li
Herein, we employ a partial phase conversion strategy to transform cobalt/nickel carbonate hydroxide (CoxNiyCH) nanosheet arrays in an Fe-containing KOH electrolyte. The optimized sample exhibits remarkable electrocatalytic activity (η50 = 256 mV, 51 mV dec−1) and good stability (18 h) with negligible morphology change in a 1 M KOH solution, outperforming most reported cobalt–nickel-based electrocatalysts. From our research, it is found that the Fe impurity in the KOH electrolyte plays an important role in achieving high OER performance. The heterostructure caused by the partial phase transformation of CoxNiyCH can enhance the conductivity and stability along with providing more effective active sites.
研究领域:
材料科学
·
电化学
✓ 已验证
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Lihao Liu,Suiqin Li,Kai Li,Jiahui He,Yuhang Wang,Jieyu Wang,Ying Chen,Yinjie Xu,Mengxin Wang,Yongyong Cao,Xing Zhong,Jianguo Wang
The selective electrocatalytic oxidation of alcohols (EOA) to aldehydes under weak alkaline conditions offers sustainable synthetic routes. However, a deficiency in basicity inevitably leads to diminished electrocatalytic efficiency, and the dynamic reconstruction mechanism of the electrocatalyst remains insufficiently researched. Herein, the NiMoO x -COOH electrocatalyst/4-acetamido-TEMPO (ACT) synergistic system was employed for the efficient EOA under weak alkaline. In situ studies reveal electric double layer-driven metal/ligand co-leaching induces in situ dissolution-redeposition of metal, forming active Ni 2 (CO 3 )(OH) 2 . Experimental and Density functional theory (DFT) studies confirm a synergistic electrocatalytic mechanism between NiMoO x -COOH and ACT. The reconstructed Ni 2 (CO 3 )(OH) 2 promotes ACTH surface adsorption, thereby facilitating the turnover cycle of ACT. Therefore, outstanding EOA electrocatalytic performance has been achieved (500 mA/cm 2 , 96 % high yield, maintaining 30 cycles for benzyl alcohol oxidation, 15 substrate examples and 100 g scales synthesis). This work offers a promising approach to achieving high-performance EOA under weak alkaline.
研究领域:
材料科学
·
电化学
·
催化反应
✓ 已验证
产品关联
DOI
高影响因子
Advanced Composites and Hybrid Materials
·
2024
·Vol. 8
·期 1
·1-13
·
IF 23.2
Mu Zuxiang,Sun Yinuo,Qin Jiachen,Shen Zhaocun,Liang Gemeng,Zou Jinshuo,Lan Di,Xie Peitao
Negative permittivity materials hold immense potential in the field of sensing due to their high sensitivity. As the next generation of sensors moves toward flexible and wearable designs, conventional negative permittivity materials, which are predominantly based on rigid metal conductive networks, struggle to achieve the necessary flexibility. In this study, we synthesized Ni x /C/SiO 2 flexible composite films by electrospinning and high-temperature pyrolysis. Using polyacrylonitrile (PAN) as the precursor, along with nickel acetate tetrahydrate and tetraethyl orthosilicate, the material underwent carbonization to form a dual-phase carbon-nickel network, establishing a flexible conductive framework. A relatively low carbonization temperature was employed to maintain the flexibility of the carbon network, avoiding excessive graphitization that could compromise flexibility. To ensure sufficient carrier concentration within the system, Ni was introduced, while the addition of SiO 2 not only enhanced the flexibility of the composite fiber membrane but also strengthened the positive permittivity effect, allowing for precise tuning of the negative permittivity. The composite films exhibit excellent negative dielectric properties of about − 2000 and conductivity up to 0.018 (Ω·cm) −1 . Our research offers a viable approach for introducing flexibility into negative permittivity materials, thereby advancing their potential applications in the sensing field.
研究领域:
材料科学
·
传感器技术
✓ 已验证
产品关联
DOI
高影响因子
Small
·
2024
·
IF 13
Xin Wang,Lei Xu,Shuzhang Niu,Qicheng Zhang,Qing Lian,Shengling Xiang,Zongyu Mao,Ye Han,Yulan Huang,Guanting Li,Ziteng Zuo,Shenglian Lan,Run Shi,Chengzhu Liao,Huili Li,Abbas Amini,Ning Wang,Chun Cheng
Lithium (Li) metal anode, one of the most promising candidates for next-generation rechargeable batteries, has always suffered from uneven Li deposition/stripping. To address this issue, this work designs a novel nickel-carbon composite modified Li metal anode (FNC-NF) by carbonizing fluoride nickel hydroxide nanosheet arrays grown on nickel foam (NF). These electrochemical tests present that the conductive and lithiophilic FNC can effectively restrain the growth of Li dendrites during the cycling of Li deposition/stripping at large capacities up to 10 mAh cm −2 . This result is attributed to the featured FNC composition combining a core of nickel hydroxide and a mixed coating of defective carbon and Ni nanoparticles, and the unique hierarchical morphology of the FNC-NF integrating porous NF and vertically aligned FNC nanosheets. Consequently, the FNC-NF presents a stable coulombic efficiency performance after 900 cycles with an average of 99.23% for half cells, a lifespan over 3200 h for symmetric cells at 1 mA cm −2 and 1 mAh cm −2 , and a remarkable cycling stability at large current densities of up to 15 mA cm −2 at 1 mAh cm −2 . Moreover, the Li||FNC-NF||LiFePO 4 full cells show superior capacity retention and cycling stability at 1 C.
研究领域:
材料科学
·
电化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2021
·
IF 8.128
Kairuo Zhu,Lili Chen,Njud S. Alharbi,Changlun Chen
Magnetic carbon materials promise distinct advantages in the decontamination of heavy metal ions. In this work, a novel interconnected hierarchical nickel-carbon (Ni@IHC) hybrid was synthesized by combining the solvothermal method with a one-step pyrolysis under argon atmosphere. Benefitting from 3D flower-like morphology, interconnected porous nanosheets, large surface area, and abundant Ni nanoparticles, Ni@IHC hybrids can remove Cr(VI) within 25 min by using formic acid (FA) as a reductant at 25 ℃. Furthermore, the experimental parameters that can affect the material catalytic performance such as initial Cr(VI) concentration, catalyst dosage, FA concentration, and temperature were also investigated in detail. It was found that highly dispersed Ni nanoparticles contributed significantly to the reduction process. More importantly, the embedded Ni nanoparticles favor fast separation by a magnet and were helpful for the recycles use. This Ni@IHC hybrid was obtained by a facile and easy scale-up method, resulting in the fast transformation of Cr(VI) into Cr(III).
研究领域:
环境科学
·
材料科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
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